SCHEMBL11042836

SCHEMBL11042836

CC(C)(CO)COC(=O)c1ccc(C(=O)O)cc1.O=C(O)CCCCCCCC(=O)OCCOC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PPARA Q07869 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PLA2G4B P0C869 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11048926 1.00 LTB4R (0.40) LTB4RTDP1PPARAHTTNPC1
SCHEMBL11237291 0.87 HTT (0.39) TDP1PPARAHTTNPC1MAPK1
Adipic Acid SCHEMBL11787446 0.85 TDP1 (0.49) LTB4RTDP1PPARAHTTNPC1
SCHEMBL5083435 0.84 TDP1 (0.40) TDP1PPARAHTTNPC1MAPK1
Azelaic Acid SCHEMBL11043904 0.84 TDP1 (0.54) LTB4RTDP1PPARALMNAHDAC6
Terephthalic Acid SCHEMBL6690763 0.84 MAPK1 (0.45) TDP1NPC1MAPK1HIF1A
SCHEMBL11389878 0.82 TDP1 (0.53) LTB4RTDP1PPARAHTTNPC1
SCHEMBL15154969 0.82 TDP1 (0.53) LTB4RTDP1PPARAHTTNPC1
Cyclohexane SCHEMBL11389875 0.81 TDP1 (0.45) LTB4RTDP1PPARAHTTNPC1
SCHEMBL10911254 0.81 TDP1 (0.45) LTB4RTDP1PPARAHTTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102312-A1 Unsaturated polyurethanes THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-03-07 EP disclosed